(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C21H17N5O — CID 166727950

IUPAC(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C21H17N5O/c22-10-13-4-6-16-14(8-13)2-1-3-18(16)24-15-5-7-19-17(9-15)21(26-25-19)20-11-23-12-27-20/h4-9,11-12,18,24H,1-3H2,(H,25,26)/t18-/m0/s1
InChIKeyRXENIAKRKWXMDC-SFHVURJKSA-N
MW355.40 g/mol
LogP4.58
Rot. Bonds3

About (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 166727950) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID166727950
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C21H17N5O/c22-10-13-4-6-16-14(8-13)2-1-3-18(16)24-15-5-7-19-17(9-15)21(26-25-19)20-11-23-12-27-20/h4-9,11-12,18,24H,1-3H2,(H,25,26)/t18-/m0/s1
InChIKeyRXENIAKRKWXMDC-SFHVURJKSA-N
XLogP4.58
TPSA90.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 166727950) is (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2[nH]nc(-c3cnco3)c2c1.
What is the InChIKey of (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is RXENIAKRKWXMDC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17N5O/c22-10-13-4-6-16-14(8-13)2-1-3-18(16)24-15-5-7-19-17(9-15)21(26-25-19)20-11-23-12-27-20/h4-9,11-12,18,24H,1-3H2,(H,25,26)/t18-/m0/s1.
What are the key properties of (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 355.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 166727950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).